SCHEMBL164855

SCHEMBL164855

Oc1nc(C(O)c2ccc(F)cc2)nc2cccc(F)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.41
CYP2C9 P11712 4/20 0.41
CYP2C19 P33261 4/20 0.41
JAK2 O60674 3/20 0.41
CYP2C8 P10632 3/20 0.41
JAK1 P23458 3/20 0.41
TYK2 P29597 3/20 0.41
JAK3 P52333 3/20 0.41
ADORA3 P0DMS8 2/20 0.41
CYP1A2 P05177 2/20 0.41
PARP1 P09874 1/20 0.33
AURKA O14965 1/20 0.33
GRK6 P43250 1/20 0.33
KCNH2 Q12809 1/20 0.32
NR3C1 P04150 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
ACHE P22303 1/20 0.31
PTGS2 P35354 1/20 0.31
SCN9A Q15858 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL164854 1.00 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19JAK2CYP2C8
SCHEMBL164992 0.74 JAK2 (0.43) CYP3A4CYP2C9CYP2C19JAK2CYP2C8
SCHEMBL13011477 0.72 JAK2 (0.46) CYP3A4CYP2C9CYP2C19JAK2CYP2C8
SCHEMBL175936 0.71 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19JAK2CYP2C8
SCHEMBL17716229 0.70 JAK2 (0.59) CYP3A4CYP2C9CYP2C19JAK2CYP2C8
SCHEMBL161030 0.69 JAK2 (0.45) CYP3A4CYP2C9CYP2C19JAK2CYP2C8
SCHEMBL15255137 0.69 KDM4E (0.40) PARP1KMT2ANPC1
SCHEMBL13975880 0.68 KCNH2 (0.46) PARP1KCNH2ACHEDHFR
SCHEMBL164096 0.68 JAK2 (0.39) CYP3A4CYP2C9CYP2C19JAK2CYP2C8
SCHEMBL21830989 0.67 ATM (0.44) NR3C1KMT2AATMALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9308207-B2 JAK kinase modulating compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2016-04-12 US disclosed
US-20150150874-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. (US) 2015-06-04 US disclosed
US-8927711-B2 JAK kinase modulating compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2015-01-06 US disclosed
EP-2401267-B1 JAK KINASE MODULATING QUINAZOLINE DERIVATIVES AND THEIR USE IN METHODS AMBIT BIOSCIENCES CORP (US) 2014-01-15 EP disclosed
US-20130245014-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. (US) 2013-09-19 US disclosed
EP-2611502-A1 ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
US-8349851-B2 JAK kinase modulating compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2013-01-08 US disclosed
WO-2012030918-A1 ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO disclosed
US-20120053176-A1 ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. (US) 2012-03-01 US disclosed
EP-2401267-A1 JAK KINASE MODULATING QUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2012-01-04 EP disclosed
US-20100317659-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. 2010-12-16 US disclosed
WO-2010099379-A1 JAK KINASE MODULATING QUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2010-09-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150150874-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 CYP3A4 3115/4885CYP2C9 2751/4885CYP2C19 2645/4885
US-20130245014-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 CYP3A4 3115/4885CYP2C9 2751/4885CYP2C19 2645/4885
US-20100317659-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 CYP3A4 3115/4885CYP2C9 2751/4885CYP2C19 2645/4885
US-20120053176-A1 ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF ADORA2A, ADORA3, ADORA1 CYP3A4 2890/4885CYP2C9 3291/4885CYP2C19 3215/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.